Geometry & MOs

Info

ID:	359337
PubChem CID:	127298386
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	391.22712
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	3.28
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CC=CC=C3N4C=CC=N4

DOS

IR

Vibrations